SCHEMBL30002231

SCHEMBL30002231

CCOc1cc(C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.54
▸ MAP4K1 Q92918 2/20 0.53
▸ PTK2 Q05397 6/20 0.53
▸ MAPK3 P27361 2/20 0.53
▸ JAK2 O60674 1/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ NTRK3 Q16288 1/20 0.51
▸ NTRK2 Q16620 1/20 0.51
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ INSR P06213 2/20 0.48
▸ IGF1R P08069 2/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ ULK1 O75385 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28969572 1.00 LRRK2 (0.54) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL24752696 0.92 MAP4K1 (0.63) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL30001797 0.91 MAPK3 (0.58) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL24752279 0.91 MAPK3 (0.58) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL30002296 0.91 MAP4K1 (0.54) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL28969633 0.91 MAP4K1 (0.54) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL28969650 0.90 LRRK2 (0.54) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL30001806 0.90 LRRK2 (0.54) LRRK2MAP4K1PTK2MAPK3JAK2
SCHEMBL28969606 0.87 MAPK3 (0.61) MAP4K1PTK2MAPK3JAK2NTRK1
SCHEMBL30002408 0.87 MAPK3 (0.61) MAP4K1PTK2MAPK3JAK2NTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 — — WO disclosed
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